SCHEMBL4675197

SCHEMBL4675197

CCOC(=O)C(=O)CSc1nc2cc(C)ccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KMT2A Q03164 8/20 0.50
MAPT P10636 8/20 0.50
MEN1 O00255 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RECQL P46063 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4674103 0.87 NPC1 (0.55) POLBMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4678420 0.86 POLB (0.47) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4673796 0.85 MAPT (0.57) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4677063 0.85 POLB (0.47) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4674283 0.85 POLB (0.69) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL14959209 0.82 KMT2A (0.65) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4551595 0.82 KMT2A (0.56) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL1415008 0.81 ALDH1A1 (0.57) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4674353 0.80 NPC1 (0.67) POLBMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4678921 0.78 MAPT (0.70) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 POLB 1181/4885KMT2A 3599/4885MAPT 1203/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885KMT2A 2023/4885MAPT 851/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885KMT2A 2023/4885MAPT 851/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 POLB 1052/4885KMT2A 2023/4885MAPT 851/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.